6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine

C16H14F3N5O — CID 138481352

IUPAC6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(N)cn1
InChIInChI=1S/C16H14F3N5O/c1-24-14(22-23-15(24)13-6-5-11(20)8-21-13)9-25-12-4-2-3-10(7-12)16(17,18)19/h2-8H,9,20H2,1H3
InChIKeyCICPGRIKWPVAHK-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.06
Rot. Bonds4

About 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine

6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine (PubChem CID 138481352) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine
PubChem CID138481352
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(N)cn1
InChIInChI=1S/C16H14F3N5O/c1-24-14(22-23-15(24)13-6-5-11(20)8-21-13)9-25-12-4-2-3-10(7-12)16(17,18)19/h2-8H,9,20H2,1H3
InChIKeyCICPGRIKWPVAHK-UHFFFAOYSA-N
XLogP3.06
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine with MolForge

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Related Compounds

US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
US9765058, Example 2-2-10
CID 86580572
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
5-[3-(4-Ethoxy-3-methylphenyl)-5-(2-methoxyethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11486351
2-methoxy-5-(3-(methoxymethyl)-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11502419
5-(3-(4-(4-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11538526
5-(3-(4-(3-fluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11618185
2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11625088
5-(3-(3-(4-fluoro-2-methylphenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 11667812

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine?
The IUPAC name of 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine (CID 138481352) is 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine is Cn1c(COc2cccc(C(F)(F)F)c2)nnc1-c1ccc(N)cn1.
What is the InChIKey of 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine?
The InChIKey is CICPGRIKWPVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-24-14(22-23-15(24)13-6-5-11(20)8-21-13)9-25-12-4-2-3-10(7-12)16(17,18)19/h2-8H,9,20H2,1H3.
What are the key properties of 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine?
6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine has a molecular weight of 349.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2,4-triazol-3-yl]pyridin-3-amine is sourced from PubChem (CID 138481352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).